6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine

C15H23N — CID 123584599

IUPAC6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CC(N2CCC=CC2C)=CCC1
InChIInChI=1S/C15H23N/c1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3/h4,7,9,11-13H,5-6,8,10H2,1-3H3
InChIKeyZFDCFWFHOCKKMX-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.90
Rot. Bonds2

About 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine

6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine (PubChem CID 123584599) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine
PubChem CID123584599
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CC(N2CCC=CC2C)=CCC1
InChIInChI=1S/C15H23N/c1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3/h4,7,9,11-13H,5-6,8,10H2,1-3H3
InChIKeyZFDCFWFHOCKKMX-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine (CID 123584599) is 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=CC(N2CCC=CC2C)=CCC1.
What is the InChIKey of 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZFDCFWFHOCKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)14-8-6-9-15(11-14)16-10-5-4-7-13(16)3/h4,7,9,11-13H,5-6,8,10H2,1-3H3.
What are the key properties of 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine?
6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 217.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 123584599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).